Vitas-M small molecule compound
4-[1-(4-fluorophenyl)-5-hydroxy-6,8-dihydro-1H-imidazo[4,5-e][1,4]thiazepin-8-yl]benzoic acid
Catalog ID
STL308774
SMILES Fc1ccc(cc1)n1cnc2c1C(SCC(=N2)O)c1ccc(cc1)C(=O)O
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C19H14FN3O3S MW 383.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H14FN3O3S/c20-13-5-7-14(8-6-13)23-10-21-18-16(23)17(27-9-15(24)22-18)11-1-3-12(4-2-11)19(25)26/h1-8,10,17H,9H2,(H,22,24)(H,25,26)InChIKey
XTTLTACQZMRJLL-UHFFFAOYSA-NSynonyms
1435981-80-81435981808
4(1(4fluorophenyl)5hydroxy68dihydro1Himidazo(45e)(14)thiazepin8yl)benzoicacid
4(1(4fluorophenyl)5oxo48dihydroimidazo(45e)(14)thiazepin8yl)benzoicacid
C1C(=O)NC2=C(C(S1)C3=CC=C(C=C3)C(=O)O)N(C=N2)C4=CC=C(C=C4)F
InChI=1SC19H14FN3O3Sc20135714(8613)2310211816(23)17(27915(24)2218)111312(4211)19(25)26h181017H9H2(H2224)(H2526)
MFCD28028554
ZINC000095472080
ZINC000095472081
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